6-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one

Formula:C20H18N2O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	6-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one
MolecularFormula	C20H18N2O3ClF
Smiles	Oc(cc(c(C(CN(CC1)CCN1c(cccc1)c1F)=C1)c2)OC1=O)c2Cl
InChI	InChI=1S/C20H18ClFN2O3/c21-15-10-14-13(9-20(26)27-19(14)11-18(15)25)12-23-5-7-24(8-6-23)17-4-2-1-3-16(17)22/h1-4,9-11,25H,5-8,12H2
InChIK	HIWQYKORDZZMGD-UHFFFAOYSA-N
TotalMolweight	388.825
Molweight	388.825
MonoisotopicMass	388.098998
CLogP	2.8038
CLogS	-3.39
H Acceptors	5
H Donors	1
TotalSurfaceArea	276
Relative PSA	0.15667
PolarSurfaceArea	53.01
Druglikeness	2.2433
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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